J. George
J. George
@tpurcell90 Thanks! Will merge it as soon as the tests have run through!
> > Maybe, you could also think about adding a bit more documentation on this part of the code in a future PR. Currently, people will mostly find the VASP...
Similar to the "socket" implementation in FHI AIMs, I will implement an option that any ASEMaker can take more than 1 structure as an input. I will, therefore, adapt all...
The code snowballstemmer pushed a new release after 4!!! years. I am pinning the version for now.
@esoteric-ephemera It's mainly to make sure I am not breaking anything by accident.
@esoteric-ephemera could you Take a look and see if this would be fine for you? I think it relates to your other forcefield updates
Fine with me!
I tracked it down. As soon as I initialize `PhonopyQHA`, I cannot jsanitanize the document. Even in cases when none of the outputs are used for the document. This is...
I think it is this line here: https://github.com/phonopy/phonopy/blob/04f912a77e3efbac00a9987b545fc4f5e8927eb9/phonopy/qha/eos.py#L134 Afterwards all warnings are turned into exceptions and none of the tests are running as before anymore.
@utf this would be ready for a review (when there is some time). `prev_dir` is not perfectly handled yet. Happy to hear your thoughts on this.